7-chloro-N-[4-[(4-chlorophenyl)methoxy]phenyl]-1H-indole-2-carboxamide

C22H16Cl2N2O2 — CID 108791740

IUPAC7-chloro-N-[4-[(4-chlorophenyl)methoxy]phenyl]-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc(OCc2ccc(Cl)cc2)cc1)c1cc2cccc(Cl)c2[nH]1
InChIInChI=1S/C22H16Cl2N2O2/c23-16-6-4-14(5-7-16)13-28-18-10-8-17(9-11-18)25-22(27)20-12-15-2-1-3-19(24)21(15)26-20/h1-12,26H,13H2,(H,25,27)
InChIKeyAWLOPUOHIRBQPU-UHFFFAOYSA-N
MW411.29 g/mol
LogP6.31
Rot. Bonds5

About 7-chloro-N-[4-[(4-chlorophenyl)methoxy]phenyl]-1H-indole-2-carboxamide

7-chloro-N-[4-[(4-chlorophenyl)methoxy]phenyl]-1H-indole-2-carboxamide (PubChem CID 108791740) has the molecular formula C22H16Cl2N2O2 and a molecular weight of 411.29 g/mol. Its IUPAC name is 7-chloro-N-[4-[(4-chlorophenyl)methoxy]phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[4-[(4-chlorophenyl)methoxy]phenyl]-1H-indole-2-carboxamide
PubChem CID108791740
Molecular FormulaC22H16Cl2N2O2
Molecular Weight411.29 g/mol
Exact Mass410.06
IUPAC Name7-chloro-N-[4-[(4-chlorophenyl)methoxy]phenyl]-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc(OCc2ccc(Cl)cc2)cc1)c1cc2cccc(Cl)c2[nH]1
InChIInChI=1S/C22H16Cl2N2O2/c23-16-6-4-14(5-7-16)13-28-18-10-8-17(9-11-18)25-22(27)20-12-15-2-1-3-19(24)21(15)26-20/h1-12,26H,13H2,(H,25,27)
InChIKeyAWLOPUOHIRBQPU-UHFFFAOYSA-N
XLogP6.31
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.29
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)-7-chloro-1H-indole-2-carboxamide
CID 108791596
7-chloro-N-naphthalen-2-yl-1H-indole-2-carboxamide
CID 108791741
7-chloro-N-(4-cyanophenyl)-1H-indole-2-carboxamide
CID 108791683
N-[4-[(4-chlorophenyl)methoxy]phenyl]-5-nitro-1H-indole-2-carboxamide
CID 127051118
7-amino-N-(4-chlorophenyl)-1H-indole-2-carboxamide
CID 63117531
7-chloro-N-(3-chloro-4-methoxyphenyl)-1H-indole-2-carboxamide
CID 108791613
3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 45030415
7-chloro-1H-indole-2-carbohydrazide
CID 13466352
7-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1H-indole-2-carboxamide
CID 108791770
7-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1H-indole-2-carboxamide
CID 108791702
7-chloro-N-(2,6-diethylphenyl)-1H-indole-2-carboxamide
CID 108791658
7-chloro-N-[3-(dimethylamino)phenyl]-1H-indole-2-carboxamide
CID 108791753

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[4-[(4-chlorophenyl)methoxy]phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 7-chloro-N-[4-[(4-chlorophenyl)methoxy]phenyl]-1H-indole-2-carboxamide (CID 108791740) is 7-chloro-N-[4-[(4-chlorophenyl)methoxy]phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 7-chloro-N-[4-[(4-chlorophenyl)methoxy]phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 7-chloro-N-[4-[(4-chlorophenyl)methoxy]phenyl]-1H-indole-2-carboxamide is O=C(Nc1ccc(OCc2ccc(Cl)cc2)cc1)c1cc2cccc(Cl)c2[nH]1.
What is the InChIKey of 7-chloro-N-[4-[(4-chlorophenyl)methoxy]phenyl]-1H-indole-2-carboxamide?
The InChIKey is AWLOPUOHIRBQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N2O2/c23-16-6-4-14(5-7-16)13-28-18-10-8-17(9-11-18)25-22(27)20-12-15-2-1-3-19(24)21(15)26-20/h1-12,26H,13H2,(H,25,27).
What are the key properties of 7-chloro-N-[4-[(4-chlorophenyl)methoxy]phenyl]-1H-indole-2-carboxamide?
7-chloro-N-[4-[(4-chlorophenyl)methoxy]phenyl]-1H-indole-2-carboxamide has a molecular weight of 411.29 g/mol, XLogP of 6.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[4-[(4-chlorophenyl)methoxy]phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 108791740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).